2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride

C17H24ClFN2O — CID 119808005

IUPAC2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride
SMILESCC1CCN(C(=O)CNCC2CC2)C1c1cccc(F)c1.Cl
InChIInChI=1S/C17H23FN2O.ClH/c1-12-7-8-20(16(21)11-19-10-13-5-6-13)17(12)14-3-2-4-15(18)9-14;/h2-4,9,12-13,17,19H,5-8,10-11H2,1H3;1H
InChIKeyQYAPRUVWOISPSN-UHFFFAOYSA-N
MW326.84 g/mol
LogP3.16
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride

2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 119808005) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID119808005
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC Name2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride
SMILESCC1CCN(C(=O)CNCC2CC2)C1c1cccc(F)c1.Cl
InChIInChI=1S/C17H23FN2O.ClH/c1-12-7-8-20(16(21)11-19-10-13-5-6-13)17(12)14-3-2-4-15(18)9-14;/h2-4,9,12-13,17,19H,5-8,10-11H2,1H3;1H
InChIKeyQYAPRUVWOISPSN-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119807985
3,3-difluoro-1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 124740019
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119793865
tert-butyl (3S)-2-(3-fluorophenyl)-3-methylpyrrolidine-1-carboxylate
CID 66684612
1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 97023664
1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 124886786
1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119808014
(5-amino-2-methylphenyl)-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120636748
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425
1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119808004
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
3-[(2S,3S)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]propanoic acid
CID 124694167

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride (CID 119808005) is 2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride is CC1CCN(C(=O)CNCC2CC2)C1c1cccc(F)c1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is QYAPRUVWOISPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O.ClH/c1-12-7-8-20(16(21)11-19-10-13-5-6-13)17(12)14-3-2-4-15(18)9-14;/h2-4,9,12-13,17,19H,5-8,10-11H2,1H3;1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride?
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 326.84 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119808005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).